element(s):
['Li']
AFLOW prototype label:
A_hR3_166_ac
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0652442', '7.313745', '0.77781729']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'Li']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.77781729]]
spacegroup =  166
cell =  [[3.0652, 0, 0], [-1.5326, 2.6545410676801, 0], [0, 0, 22.4184]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:58:18      -14.714455        0.0309
BFGS:    1 15:58:18      -14.714481        0.0307
BFGS:    2 15:58:18      -14.716121        0.0059
BFGS:    3 15:58:18      -14.716146        0.0026
BFGS:    4 15:58:18      -14.716147        0.0025
BFGS:    5 15:58:18      -14.716148        0.0022
BFGS:    6 15:58:18      -14.716151        0.0023
BFGS:    7 15:58:18      -14.716157        0.0022
BFGS:    8 15:58:18      -14.716164        0.0014
BFGS:    9 15:58:18      -14.716168        0.0006
BFGS:   10 15:58:18      -14.716168        0.0002
BFGS:   11 15:58:18      -14.716168        0.0000
BFGS:   12 15:58:18      -14.716168        0.0000
BFGS:   13 15:58:18      -14.716168        0.0000
BFGS:   14 15:58:18      -14.716168        0.0000
BFGS:   15 15:58:18      -14.716168        0.0000
BFGS:   16 15:58:18      -14.716168        0.0000
BFGS:   17 15:58:18      -14.716168        0.0000
BFGS:   18 15:58:18      -14.716168        0.0000
BFGS:   19 15:58:18      -14.716168        0.0000
BFGS:   20 15:58:18      -14.716168        0.0000
BFGS:   21 15:58:18      -14.716168        0.0000
Minimization converged after 21 steps.
Maximum force component: 2.7736875527854354e-10 eV/Angstrom
Maximum stress component: 3.102173922031794e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 2.60214535e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.12690939e-16 5.89850301e-31 7.77814417e-01]
 [3.21900509e-17 1.66545967e-31 2.22185583e-01]
 [6.66666667e-01 3.33333333e-01 1.11147750e-01]
 [6.66666667e-01 3.33333333e-01 5.55518916e-01]
 [3.33333333e-01 6.66666667e-01 4.44481084e-01]
 [3.33333333e-01 6.66666667e-01 8.88852250e-01]]
cellpar =  Cell([[3.076509122494237, 1.1708990209851816e-19, -1.6646968888600982e-17], [-1.538254561247119, 2.6643350550545812, 1.675902569934057e-17], [-5.673478234683794e-16, 7.11614453212276e-17, 22.584398472766154]])
forces =  [[-7.90018806e-34 -9.12235140e-34 -2.31978503e-32]
 [-5.26679204e-34 -9.12235140e-34 -2.70641587e-32]
 [-7.90018806e-34 -9.12235140e-34 -2.31978503e-32]
 [ 6.96784453e-27 -8.73963999e-28 -2.77368755e-10]
 [-6.96784690e-27  8.73960806e-28  2.77368755e-10]
 [ 6.96784690e-27 -8.73963543e-28 -2.77368755e-10]
 [-6.96784611e-27  8.73961263e-28  2.77368755e-10]
 [ 6.96784216e-27 -8.73963543e-28 -2.77368755e-10]
 [-6.96784638e-27  8.73963543e-28  2.77368755e-10]]
stress =  [-3.10217392e-11 -3.10217392e-11  5.56782519e-12  2.98810176e-27
 -5.78595161e-27  4.05446282e-27]
energy per atom =  -1.6351298257547129
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0